0 mol 78 unq 0 iso 0 dist 5.8409 10.8182 7.32064 11.4506 10.1263 5.47706 numMergedOcc 0
1 mol 78 unq 1 iso 0 dist 5.8409 3.48199 5.85007 11.4506 10.1263 8.07568 numMergedOcc 0
2 mol 78 unq 2 iso 0 dist 8.13368 10.8182 4.62314 11.4506 6.88255 5.47706 numMergedOcc 0
3 mol 78 unq 3 iso 0 dist 8.13368 3.48199 6.35234 11.4506 6.88255 8.07568 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.3761 4.54306 5.33961 7.00373 4.45424 4.44979 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 6.31509 12.8104 8.3505 17.7504 12.8333 6.61111 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.84583 4.54306 5.08983 7.00373 9.47873 4.44979 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.08733 4.85157 5.90003 9.876 6.02826 6.55202 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 4.90449 5.74561 5.90003 9.73763 6.02826 6.55202 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.22824 4.78701 8.78303 8.72056 11.5532 7.43401 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.4822 6.98797 5.56446 9.23448 7.03121 4.26972 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 6.4822 6.98797 5.56446 5.83972 5.65619 7.54341 numMergedOcc 0
12 mol 144 unq 0 iso 0 dist 9.87298 4.9743 7.46026 8.98299 13.6501 9.09684 numMergedOcc 0
13 mol 144 unq 1 iso 0 dist 6.21815 6.01619 7.46026 14.8993 13.6501 9.09684 numMergedOcc 0
14 mol 146 unq 0 iso 0 dist 9.5348 8.19476 6.93154 12.8089 10.2064 5.41078 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 9.78043 5.61997 9.48766 11.4459 4.04021 9.32333 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 8.05227 4.26432 6.0033 9.47487 4.40086 9.27218 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 6.97966 3.86571 8.98005 4.98602 5.26751 8.10546 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 7.09902 4.12865 8.7831 9.13657 5.3674 8.24424 numMergedOcc 0
19 mol 233 unq 1 iso 0 dist 7.09902 7.02682 9.61071 9.13657 5.3674 7.0942 numMergedOcc 0
20 mol 233 unq 2 iso 0 dist 7.09902 8.26863 7.1229 9.13657 5.3674 6.01775 numMergedOcc 0
21 mol 233 unq 3 iso 0 dist 8.73545 14.2672 8.7831 11.259 5.3674 8.24424 numMergedOcc 0
22 mol 233 unq 4 iso 0 dist 8.73545 14.2649 9.61071 11.259 5.3674 7.0942 numMergedOcc 0
23 mol 233 unq 5 iso 0 dist 8.73545 7.83075 7.1229 11.259 5.3674 6.01775 numMergedOcc 0
24 mol 233 unq 6 iso 0 dist 8.14581 7.83075 9.55705 11.259 9.76593 6.01775 numMergedOcc 0
